6-[(3R,4S)-3-[(3S,5R)-4-[3,4-bis(fluoranyl)phenyl]-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-4-(5-chloranylpyridin-2-yl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(3R,4S)-3-[(3S,5R)-4-[3,4-bis(fluoranyl)phenyl]-3,5-dimethyl-4-oxidanyl-piperidin-1-yl]carbonyl-4-(5-chloranylpyridin-2-yl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one Openeye Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidin-1-yl]-2-methyl-pyridazin-3-one CAS Name: 6-[(3S,4R)-3-(5-chloro-2-pyridinyl)-4-[[(3S,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethyl-1-piperidinyl]-oxomethyl]-1-pyrrolidinyl]-2-methyl-3-pyridazinone IUPAC Name: 6-[(3S,4R)-3-(5-chloropyridin-2-yl)-4-[(3S,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-1-yl]-2-methylpyridazin-3-one Traditional Name: 6-[(3S,4R)-3-(5-chloro-2-pyridyl)-4-[(3S,5R)-4-(3,4-difluorophenyl)-4-hydroxy-3,5-dimethyl-piperidine-1-carbonyl]pyrrolidino]-2-methyl-pyridazin-3-one Formula: C28H30ClF2N5O3 MolecularWeight: 558.019306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1(C2=CC(=C(C=C2)F)F)O)C)C(=O)C3CN(CC3C4=NC=C(C=C4)Cl)C5=NN(C(=O)C=C5)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](C1(C2=CC(=C(C=C2)F)F)O)C)C(=O)[C@H]3CN(C[C@H]3C4=NC=C(C=C4)Cl)C5=NN(C(=O)C=C5)C

InChI

InChI=1S/C28H30ClF2N5O3/c1-16-12-36(13-17(2)28(16,39)18-4-6-22(30)23(31)10-18)27(38)21-15-35(25-8-9-26(37)34(3)33-25)14-20(21)24-7-5-19(29)11-32-24/h4-11,16-17,20-21,39H,12-15H2,1-3H3/t16-,17+,20-,21+,28?/m1/s1